%chk=000029249.chk
%nprocshared=4
%mem=7GB
#p opt=(loose) PBEPBE/SDD pop=(full,Hirshfeld, NPA) GFInput nosymm

000029249

0 1
 S    4.213500       2.769800     -8.8399999E-02
 O    3.011100       3.877700     -7.8800000E-02
 O    4.973500       2.957800       1.139000    
 O    4.871500       2.829200      -1.384400    
 C    1.429900      -2.599000      0.2381000    
 C   1.0900000E-02  -2.565100     -0.3807000    
 C  -0.9257000      -1.569300      0.3172000    
 C   -2.333000      -1.535200     -0.2896000    
 C   -3.259700     -0.5187000      0.3817000    
 C    2.254400      -3.721300     -0.4338000    
 C   -4.661800     -0.4800000     -0.2352000    
 C    2.128400      -1.250600      0.1557000    
 C   -5.630300      0.5346000      0.3821000    
 C   -7.009800      0.6238000     -0.2771000    
 C    3.629200      -3.918100      0.1947000    
 C    2.501900     -0.5863000       1.324000    
 C    2.396600     -0.6785000      -1.087900    
 C   -7.903700       1.706100      0.3289000    
 C    3.143500      0.6498000       1.248800    
 C    3.038200      0.5577000      -1.163200    
 C    3.411700       1.221900      5.2000000E-03
 C   -9.290200       1.693600     -0.2963000    
 H    1.314700      -2.870600       1.296800    
 H   6.2399998E-02  -2.324300      -1.449800    
 H  -0.4335000      -3.566300     -0.3099000    
 H  -0.5060000     -0.5584000      0.2623000    
 H  -0.9990000      -1.826500       1.381000    
 H   -2.779800      -2.534300     -0.2170000    
 H   -2.256400      -1.299300      -1.358300    
 H   -3.344400     -0.7550000       1.449400    
 H   -2.811100      0.4798000      0.3125000    
 H    2.377100      -3.530500      -1.506800    
 H    1.704200      -4.666900     -0.3483000    
 H   -5.109500      -1.479100     -0.1624000    
 H   -4.566300     -0.2616000      -1.306400    
 H   -5.759400      0.2950000       1.445100    
 H   -5.161100       1.526000      0.3442000    
 H   -7.504600     -0.3515000     -0.1907000    
 H   -6.883500      0.8199000      -1.349100    
 H    3.545800      -4.100900       1.270700    
 H    4.126100      -4.782800     -0.2570000    
 H    4.274600      -3.048500      3.9200000E-02
 H    2.298400      -1.018600       2.300000    
 H    2.113000      -1.177700      -2.010100    
 H   -7.445900       2.691000      0.1821000    
 H   -7.996400       1.548400       1.409700    
 H    3.418800       1.152100       2.171900    
 H    3.229300      0.9871000      -2.142600    
 H   -9.786100      0.7313000     -0.1330000    
 H   -9.235700       1.874000      -1.374600    
 H   -9.913100       2.476100      0.1483000    
 H    3.305200       4.817600     -0.1239000    


%chk=000029249-Freq.chk
%nprocshared=4
%mem=7GB
#p freq=noraman PBEPBE/SDD

000029249

0 1
S 4.478898 2.782982 -0.134978
O 2.982974 3.886920 -0.039751
O 5.371543 3.020653 1.194070
O 5.137536 2.946302 -1.604438
C 1.424035 -2.592284 0.247690
C 0.003539 -2.509987 -0.385040
C -0.945232 -1.504917 0.304641
C -2.352994 -1.478984 -0.332104
C -3.312968 -0.475874 0.345829
C 2.247404 -3.749766 -0.396237
C -4.717097 -0.445511 -0.298770
C 2.167765 -1.259723 0.156527
C -5.676968 0.564999 0.368724
C -7.079591 0.596826 -0.279305
C 3.598940 -4.022405 0.296623
C 2.623102 -0.599006 1.326886
C 2.432636 -0.663059 -1.106988
C -8.037369 1.613787 0.382570
C 3.316025 0.629816 1.257906
C 3.120458 0.562957 -1.209034
C 3.542255 1.171799 -0.015720
C -9.435847 1.639439 -0.271521
H 1.297239 -2.835878 1.323691
H 0.092516 -2.252780 -1.460989
H -0.448622 -3.522245 -0.346754
H -0.507316 -0.487348 0.263522
H -1.034301 -1.763504 1.380903
H -2.795701 -2.496521 -0.289674
H -2.261632 -1.225021 -1.409170
H -3.409040 -0.728847 1.422581
H -2.868910 0.540642 0.304375
H 2.416749 -3.523748 -1.468655
H 1.625836 -4.666897 -0.366874
H -5.164098 -1.460924 -0.252551
H -4.619053 -0.198858 -1.376893
H -5.777173 0.319321 1.446895
H -5.229568 1.580105 0.322458
H -7.531175 -0.416383 -0.228952
H -6.980077 0.838365 -1.358497
H 3.454539 -4.274618 1.364389
H 4.122632 -4.870636 -0.180340
H 4.266587 -3.143392 0.245803
H 2.431538 -1.048810 2.307516
H 2.095464 -1.156914 -2.024875
H -7.585140 2.625428 0.331269
H -8.135947 1.372536 1.460844
H 3.679092 1.139324 2.155834
H 3.336864 1.024950 -2.177345
H -9.922724 0.647961 -0.204871
H -9.366685 1.906419 -1.343129
H -10.100006 2.375503 0.217905
H 3.306965 4.833204 -0.092694


